%chk=000198831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198831

0 1
O 3.882353 1.453873 0.000764
N 3.101596 -0.751153 0.000083
N -3.512844 -0.935173 0.000623
N -3.166381 1.283102 -0.000979
N -4.755220 -0.373423 0.000126
N 5.421912 -0.229691 0.000159
C -1.085642 -0.143580 -0.000001
C 1.699000 -0.496918 0.000100
C -0.221995 0.971487 0.000265
C -0.536646 -1.437181 -0.000178
C -2.525896 0.081835 -0.000091
C 1.157969 0.801829 0.000301
C 0.843233 -1.621755 -0.000143
C -4.532885 0.972022 -0.000510
C 4.107747 0.257215 0.000650
H -0.647029 1.982466 0.000379
H -1.181616 -2.314717 -0.000445
H 1.817460 1.680080 0.000476
H 1.248386 -2.630494 -0.000337
H 3.380067 -1.732852 -0.000297
H -3.406188 -1.938337 0.001322
H -5.306830 1.727683 -0.001128
H 6.177250 0.441613 -0.000032
H 5.674798 -1.197931 -0.000506


%chk=000198831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198831

0 1
O 3.981338 1.512824 0.001166
N 3.122422 -0.693297 -0.001418
N -3.528224 -0.926405 0.000994
N -3.196379 1.277465 -0.000130
N -4.818180 -0.385453 0.002223
N 5.435332 -0.301712 0.001326
C -1.111327 -0.143069 -0.000323
C 1.724944 -0.455117 -0.001013
C -0.248829 0.985998 -0.000484
C -0.526643 -1.438177 -0.000542
C -2.560189 0.067314 0.000047
C 1.148873 0.846388 -0.000837
C 0.869082 -1.592258 -0.000853
C -4.542468 0.951865 -0.000483
C 4.158725 0.260383 -0.001422
H -0.703013 1.981770 -0.000342
H -1.150120 -2.340367 -0.000509
H 1.804204 1.718882 -0.000998
H 1.300752 -2.601471 -0.001011
H 3.393187 -1.678950 -0.001363
H -3.426416 -1.938249 0.001770
H -5.339322 1.690584 -0.000462
H 6.214586 0.351462 0.003732
H 5.630265 -1.300411 0.001533


